Vitas-M small molecule compound
2-[(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Catalog ID
STK819034
SMILES COc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H21N5O4S MW 535.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O4S/c1-18(35)38-24-11-7-6-10-23(24)27-30-29-34(32-27)28(36)25(39-29)16-20-17-33(21-8-4-3-5-9-21)31-26(20)19-12-14-22(37-2)15-13-19/h3-17H,1-2H3/b25-16-InChIKey
ZYDXZJBDXJLYPW-XYGWBWBKSA-NSynonyms
(2((5Z)5((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
2((5Z)5((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CC(=O)OC1=CC=CC=C1C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6)SC3=N2
COc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)c1ccccc1
InChI=1SC29H21N5O4Sc118(35)382411761023(24)27302934(3227)28(36)25(3929)16201733(218435921)3126(20)19121422(372)151319h317H12H3b2516
MFCD03534385
ZINC000098046295
ZINC98046295
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